2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol

C15H17ClN2O — CID 142098901

IUPAC2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
SMILESCN(CCc1ccncc1)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-18(9-6-12-4-7-17-8-5-12)11-13-2-3-15(19)14(16)10-13/h2-5,7-8,10,19H,6,9,11H2,1H3
InChIKeyYCWFWASPXUVPMW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol

2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol (PubChem CID 142098901) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
PubChem CID142098901
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
SMILESCN(CCc1ccncc1)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-18(9-6-12-4-7-17-8-5-12)11-13-2-3-15(19)14(16)10-13/h2-5,7-8,10,19H,6,9,11H2,1H3
InChIKeyYCWFWASPXUVPMW-UHFFFAOYSA-N
XLogP3.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 102662788
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol (CID 142098901) is 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol is CN(CCc1ccncc1)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol?
The InChIKey is YCWFWASPXUVPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(9-6-12-4-7-17-8-5-12)11-13-2-3-15(19)14(16)10-13/h2-5,7-8,10,19H,6,9,11H2,1H3.
What are the key properties of 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol?
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol has a molecular weight of 276.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 142098901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).